SCHEMBL2893971

SCHEMBL2893971

[c]1ccc(Cn2ccc(-c3ncccn3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
ALDH1A1 P00352 6/20 0.43
LMNA P02545 4/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HDAC1 Q13547 4/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2897632 0.86 LMNA (0.43) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL2900601 0.83 NPC1 (0.38) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL15096484 0.74 JMJD6 (0.48) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL2901239 0.72 L3MBTL1 (0.51) L3MBTL1
SCHEMBL10268750 0.72 ALDH1A1 (0.59) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL2900758 0.71 LMNA (0.40) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL1569847 0.70 MAPT (0.56) LMNAHPGDMAPTSMN1; SMN2TDP1
SCHEMBL2901252 0.69 POLB (0.35) NPC1RAB9ALMNAKDM4EMAPT
SCHEMBL2894011 0.68 LMNA (0.38) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL7494123 0.67 RAB9A (0.68) NPC1RAB9AALDH1A1LMNAKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR NPC1 4631/4885RAB9A 1806/4885ALDH1A1 551/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.